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(1S,4S,5R)-5-Methyl-4-pivaloyloxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one
SpectraBase Compound ID BiqQmrkHwtS
InChI InChI=1S/C13H18O4/c1-12(2,3)11(15)16-7-9-13(4)6-5-8(13)10(14)17-9/h5-6,8-9H,7H2,1-4H3/t8-,9-,13-/m1/s1
InChIKey XROYHWNQZNZRQX-JRKPZEMJSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9WHzLUXgIA
Name (1S,4S,5R)-5-Methyl-4-pivaloyloxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-12(2,3)11(15)16-7-9-13(4)6-5-8(13)10(14)17-9/h5-6,8-9H,7H2,1-4H3/t8-,9-,13-/m1/s1
InChIKey XROYHWNQZNZRQX-JRKPZEMJSA-N
Molecular Weight 238.283 g/mol
SMILES [C@@]12([C@](C(=O)O[C@@]2(COC(C(C)(C)C)=O)[H])([H])C=C1)C
SPLASH splash10-000i-1490000000-a07fc2472b6b887a36a4
Source of Spectrum J-68-1288-4
Synonyms [(1R,2S,5S)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]hept-6-en-2-yl]methyl pivalate 2,2-Dimethylpropanoic acid [(1S,4S,5R)-5-methyl-2-oxo-3-oxabicyclo[3.2.0]hept-6-en-4-yl]methyl ester [(1S,4S,5R)-5-methyl-2-oxo-3-oxabicyclo[3.2.0]hept-6-en-4-yl]methyl 2,2-dimethylpropanoate [(1S,4S,5R)-5-methyl-2-oxidanylidene-3-oxabicyclo[3.2.0]hept-6-en-4-yl]methyl 2,2-dimethylpropanoate
Wiley ID 1536440